3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline

C15H13F3N2 — CID 9060609

IUPAC3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESCc1cccc(N/N=C\c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2/c1-11-5-4-7-13(9-11)20-19-10-12-6-2-3-8-14(12)15(16,17)18/h2-10,20H,1H3/b19-10-
InChIKeyZAVMXZJHFTYUDJ-GRSHGNNSSA-N
MW278.28 g/mol
LogP4.46
Rot. Bonds3

About 3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline

3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline (PubChem CID 9060609) has the molecular formula C15H13F3N2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
PubChem CID9060609
Molecular FormulaC15H13F3N2
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESCc1cccc(N/N=C\c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2/c1-11-5-4-7-13(9-11)20-19-10-12-6-2-3-8-14(12)15(16,17)18/h2-10,20H,1H3/b19-10-
InChIKeyZAVMXZJHFTYUDJ-GRSHGNNSSA-N
XLogP4.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110504935
3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 6294934
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-methylaniline
CID 9060596
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169383558
2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 6291151
N-[(3-methylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841664
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline
CID 9060487
6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]-2-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 90484477
4-methyl-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135520022
2,5-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 6892667
4-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135483293
6-N-phenyl-2-N,4-N-bis[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-2,4,6-triamine
CID 139976380

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
The IUPAC name of 3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline (CID 9060609) is 3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for 3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for 3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline is Cc1cccc(N/N=C\c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
The InChIKey is ZAVMXZJHFTYUDJ-GRSHGNNSSA-N. The full InChI is InChI=1S/C15H13F3N2/c1-11-5-4-7-13(9-11)20-19-10-12-6-2-3-8-14(12)15(16,17)18/h2-10,20H,1H3/b19-10-.
What are the key properties of 3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline?
3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline has a molecular weight of 278.28 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 9060609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).